4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile

C17H13N3O — CID 61177447

IUPAC4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2cccc3cccnc23)n1
InChIInChI=1S/C17H13N3O/c1-11-9-12(2)20-17(14(11)10-18)21-15-7-3-5-13-6-4-8-19-16(13)15/h3-9H,1-2H3
InChIKeySUGBKZANQSLCHS-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.91
Rot. Bonds2

About 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile

4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile (PubChem CID 61177447) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
PubChem CID61177447
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2cccc3cccnc23)n1
InChIInChI=1S/C17H13N3O/c1-11-9-12(2)20-17(14(11)10-18)21-15-7-3-5-13-6-4-8-19-16(13)15/h3-9H,1-2H3
InChIKeySUGBKZANQSLCHS-UHFFFAOYSA-N
XLogP3.91
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile
CID 81060623
2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175739
4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63649827
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60699117
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672761
5-chloro-2-quinolin-8-yloxybenzonitrile
CID 62493064
4-bromo-2-quinolin-8-yloxybenzonitrile
CID 114902395
2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175544
8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline
CID 102749564
2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 107717867
4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 63511383
2-(3,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60710655

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile (CID 61177447) is 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Oc2cccc3cccnc23)n1.
What is the InChIKey of 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile?
The InChIKey is SUGBKZANQSLCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-9-12(2)20-17(14(11)10-18)21-15-7-3-5-13-6-4-8-19-16(13)15/h3-9H,1-2H3.
What are the key properties of 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile?
4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 61177447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).